4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one

C11H22N2O — CID 135080626

IUPAC4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one
SMILESCCCCCCCC1N(C)C(=O)N1C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-9-10-12(2)11(14)13(10)3/h10H,4-9H2,1-3H3
InChIKeyGUYOJAKBDIPPHL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.67
Rot. Bonds6

About 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one

4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one (PubChem CID 135080626) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one.

Molecular Properties

Compound Name4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one
PubChem CID135080626
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one
SMILESCCCCCCCC1N(C)C(=O)N1C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-9-10-12(2)11(14)13(10)3/h10H,4-9H2,1-3H3
InChIKeyGUYOJAKBDIPPHL-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one?
The IUPAC name of 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one (CID 135080626) is 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one.
What is the SMILES notation for 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one?
The canonical SMILES for 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one is CCCCCCCC1N(C)C(=O)N1C.
What is the InChIKey of 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one?
The InChIKey is GUYOJAKBDIPPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-7-8-9-10-12(2)11(14)13(10)3/h10H,4-9H2,1-3H3.
What are the key properties of 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one?
4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-1,3-dimethyl-1,3-diazetidin-2-one is sourced from PubChem (CID 135080626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).